2-fluoro-N-(5-iodopentyl)-4-methylbenzamide

C13H17FINO — CID 107322226

IUPAC2-fluoro-N-(5-iodopentyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCCI)c(F)c1
InChIInChI=1S/C13H17FINO/c1-10-5-6-11(12(14)9-10)13(17)16-8-4-2-3-7-15/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyWGYWZCOZTIMNNV-UHFFFAOYSA-N
MW349.19 g/mol
LogP3.47
Rot. Bonds6

About 2-fluoro-N-(5-iodopentyl)-4-methylbenzamide

2-fluoro-N-(5-iodopentyl)-4-methylbenzamide (PubChem CID 107322226) has the molecular formula C13H17FINO and a molecular weight of 349.19 g/mol. Its IUPAC name is 2-fluoro-N-(5-iodopentyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(5-iodopentyl)-4-methylbenzamide
PubChem CID107322226
Molecular FormulaC13H17FINO
Molecular Weight349.19 g/mol
Exact Mass349.03
IUPAC Name2-fluoro-N-(5-iodopentyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCCI)c(F)c1
InChIInChI=1S/C13H17FINO/c1-10-5-6-11(12(14)9-10)13(17)16-8-4-2-3-7-15/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyWGYWZCOZTIMNNV-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloropentyl)-2-fluoro-4-methylbenzamide
CID 107320953
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
4-chloro-2-fluoro-N-(6-iodohexyl)benzamide
CID 114008622
N-(4-iodobutyl)-2,4-dimethylbenzamide
CID 106846408
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
CID 79790982
2,3,4-trifluoro-N-(6-iodohexyl)benzamide
CID 107848024
2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
CID 82941071
4-[(2-fluoro-4-methylbenzoyl)amino]-2,2-dimethylbutanoic acid
CID 114285479
6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid
CID 119220141
2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide
CID 115678998
2,5-difluoro-N-(4-iodobutyl)benzamide
CID 106846072
2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate
CID 83210328

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-iodopentyl)-4-methylbenzamide?
The IUPAC name of 2-fluoro-N-(5-iodopentyl)-4-methylbenzamide (CID 107322226) is 2-fluoro-N-(5-iodopentyl)-4-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(5-iodopentyl)-4-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(5-iodopentyl)-4-methylbenzamide is Cc1ccc(C(=O)NCCCCCI)c(F)c1.
What is the InChIKey of 2-fluoro-N-(5-iodopentyl)-4-methylbenzamide?
The InChIKey is WGYWZCOZTIMNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FINO/c1-10-5-6-11(12(14)9-10)13(17)16-8-4-2-3-7-15/h5-6,9H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-N-(5-iodopentyl)-4-methylbenzamide?
2-fluoro-N-(5-iodopentyl)-4-methylbenzamide has a molecular weight of 349.19 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5-iodopentyl)-4-methylbenzamide is sourced from PubChem (CID 107322226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).